CID 134454

34197-46-1

Structural Information

Molecular Formula
C18H15N3O4
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=CC=C(C=C3)N=C(N)N
InChI
InChI=1S/C18H15N3O4/c1-10-8-16(22)25-15-9-13(6-7-14(10)15)24-17(23)11-2-4-12(5-3-11)21-18(19)20/h2-9H,1H3,(H4,19,20,21)
InChIKey
AHAAYVQLZJYEOX-UHFFFAOYSA-N
Compound name
(4-methyl-2-oxochromen-7-yl) 4-(diaminomethylideneamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

37
References

338
Patents

337.10626 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.113536 178.6
[M+Na]+ 360.095478 186.3
[M-H]- 336.098984 187.9
[M+NH4]+ 355.140083 190.9
[M+K]+ 376.069418 184.2
[M+H-H2O]+ 320.103520 169.2
[M+HCOO]- 382.104461 202.9
[M+CH3COO]- 396.120111 220.3
[M+Na-2H]- 358.080926 182.9
[M]+ 337.10571142 180.0
[M]- 337.10680858 180.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe